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89644-75-7

89644-75-7 | Phenol, 3-(7-amino-1,1,5-trimethylheptyl)-4-methoxy-

CAS No: 89644-75-7 Catalog No: AG003VKQ MDL No:

Product Description

Catalog Number:
AG003VKQ
Chemical Name:
Phenol, 3-(7-amino-1,1,5-trimethylheptyl)-4-methoxy-
CAS Number:
89644-75-7
Molecular Formula:
C17H29NO2
Molecular Weight:
279.4177
IUPAC Name:
3-(8-amino-2,6-dimethyloctan-2-yl)-4-methoxyphenol
InChI:
InChI=1S/C17H29NO2/c1-13(9-11-18)6-5-10-17(2,3)15-12-14(19)7-8-16(15)20-4/h7-8,12-13,19H,5-6,9-11,18H2,1-4H3
InChI Key:
PNHRXOZDUOYHOY-UHFFFAOYSA-N
SMILES:
NCCC(CCCC(c1cc(O)ccc1OC)(C)C)C

Properties

Complexity:
268  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.22g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
279.424g/mol
Monoisotopic Mass:
279.22g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
55.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  

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